N-(1-methyl-1H-indol-4-yl)-6-(4-oxo-3,4-dihydroquinazolin-3-yl)hexanamide

• ChemBase ID: 224847
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: c1(=O)n(cnc2c1cccc2)CCCCCC(=O)Nc1c2ccn(c2ccc1)C
• Canonical SMILES: O=C(Nc1cccc2c1ccn2C)CCCCCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C23H24N4O2/c1-26-15-13-17-20(10-7-11-21(17)26)25-22(28)12-3-2-6-14-27-16-24-19-9-5-4-8-18(19)23(27)29/h4-5,7-11,13,15-16H,2-3,6,12,14H2,1H3,(H,25,28)
• InChIKey: ODJSBFRKKBZMCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-indol-4-yl)-6-(4-oxo-3,4-dihydroquinazolin-3-yl)hexanamide
• IUPAC Traditional name: N-(1-methylindol-4-yl)-6-(4-oxoquinazolin-3-yl)hexanamide

Database IDs

• PubChem SID: 164280757
• PubChem CID: 52905373

CALCULATED PROPERTIES

• Acid pKa: 13.261905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5959003
• LogD (pH = 7.4): 3.597926
• Log P: 3.5979524
• Molar Refractivity: 116.7976 cm^3
• Polarizability: 43.79057 Å^3
• Polar Surface Area: 66.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds